N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline

C14H21N — CID 143514420

IUPACN,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline
SMILESCCC/C=C/c1cccc(C)c1N(C)C
InChIInChI=1S/C14H21N/c1-5-6-7-10-13-11-8-9-12(2)14(13)15(3)4/h7-11H,5-6H2,1-4H3/b10-7+
InChIKeyWBNZIEIIJKSNRI-JXMROGBWSA-N
MW203.33 g/mol
LogP3.87
Rot. Bonds4

About N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline

N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline (PubChem CID 143514420) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline.

Molecular Properties

Compound NameN,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline
PubChem CID143514420
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline
SMILESCCC/C=C/c1cccc(C)c1N(C)C
InChIInChI=1S/C14H21N/c1-5-6-7-10-13-11-8-9-12(2)14(13)15(3)4/h7-11H,5-6H2,1-4H3/b10-7+
InChIKeyWBNZIEIIJKSNRI-JXMROGBWSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal
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4-(2-fluoro-3-methylphenyl)but-3-en-1-amine
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4-(2-amino-3-methylphenyl)but-3-en-1-ol
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2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
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1-methyl-3-pent-1-enylbenzene
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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline?
The IUPAC name of N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline (CID 143514420) is N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline.
What is the SMILES notation for N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline?
The canonical SMILES for N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline is CCC/C=C/c1cccc(C)c1N(C)C.
What is the InChIKey of N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline?
The InChIKey is WBNZIEIIJKSNRI-JXMROGBWSA-N. The full InChI is InChI=1S/C14H21N/c1-5-6-7-10-13-11-8-9-12(2)14(13)15(3)4/h7-11H,5-6H2,1-4H3/b10-7+.
What are the key properties of N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline?
N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline has a molecular weight of 203.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-[(E)-pent-1-enyl]aniline is sourced from PubChem (CID 143514420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).